2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide

C9H14N6O2 — CID 80824373

IUPAC2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cnc(N)nc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H14N6O2/c1-5-2-13-9(12)14-8(5)15(3-6(10)16)4-7(11)17/h2H,3-4H2,1H3,(H2,10,16)(H2,11,17)(H2,12,13,14)
InChIKeyJPTFNDGCVCCLED-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.86
Rot. Bonds5

About 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide

2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 80824373) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID80824373
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cnc(N)nc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H14N6O2/c1-5-2-13-9(12)14-8(5)15(3-6(10)16)4-7(11)17/h2H,3-4H2,1H3,(H2,10,16)(H2,11,17)(H2,12,13,14)
InChIKeyJPTFNDGCVCCLED-UHFFFAOYSA-N
XLogP-1.86
TPSA141.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80753562
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
2-[(2-amino-5-methylpyrimidin-4-yl)amino]acetamide
CID 80770293
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 122516779
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811126
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 103182316
4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80796019

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide (CID 80824373) is 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide is Cc1cnc(N)nc1N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is JPTFNDGCVCCLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-5-2-13-9(12)14-8(5)15(3-6(10)16)4-7(11)17/h2H,3-4H2,1H3,(H2,10,16)(H2,11,17)(H2,12,13,14).
What are the key properties of 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide?
2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 238.25 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 80824373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).